SCHEMBL6997789

SCHEMBL6997789

CSc1ccc(C2=C(c3cc(F)cc(F)c3)C(=O)C(C)(C)O2)cc1Br

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.34
PGR P06401 5/20 0.32
PTGS1 P23219 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6999522 0.92 PGR (0.33) PTGS2PGRPTGS1
SCHEMBL6999756 0.90 PTGS2 (0.42) PTGS2PGRPTGS1
SCHEMBL6998059 0.88 PTGS2 (0.36) PTGS2PGRPTGS1
SCHEMBL6995774 0.88 PTGS2 (0.36) PTGS2PGRPTGS1
SCHEMBL7002303 0.86 PGR (0.35) PTGS2PGRPTGS1
SCHEMBL7001916 0.85 PTGS2 (0.38) PTGS2PTGS1
SCHEMBL7000718 0.84 PGR (0.34) PTGS2PGR
SCHEMBL7002452 0.84 ALOX5AP (0.33) PTGS2PGR
SCHEMBL6995576 0.84 BRAF (0.33)
SCHEMBL6997397 0.81 PTGS2 (0.38) PTGS2PGRPTGS1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1109799-B1 4,5-DIARYL-3(2H)-FURANONE DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS PACIFIC CORP (KR) 2003-12-17 EP claimed
US-6492416-B1 TREATING INFLAMMATION AND ASSOCIATED DISORDERS PACIFIC CORPORATION (KR) 2002-12-10 US claimed
EP-1109799-B1 4,5-DIARYL-3(2H)-FURANONE DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS PACIFIC CORP (KR) 2003-12-17 EP disclosed
US-6492416-B1 TREATING INFLAMMATION AND ASSOCIATED DISORDERS PACIFIC CORPORATION (KR) 2002-12-10 US disclosed